UCSF

ZINC59284364

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 1st, 2011 17 Yes

Popular Name: (1R,2S)-N1-cyclohexyl-1-phenyl-propane-1,2-diamine (1R,2S)-N1-cyclohexyl-1-phenyl-p…

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Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.79 5.56 -39.36 4 2 1 40 233.379 4 ↓
Mid Mid (pH 6-8) 2.79 6.26 -115.65 5 2 2 44 234.387 4 ↓
Mid Mid (pH 6-8) 2.79 5.96 -33.88 4 2 1 43 233.379 4 ↓

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )